[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C21H19FN4O2 — CID 95822283

IUPAC[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-4-1-5-18(13-17)28-20-19(24-9-10-25-20)15-6-11-26(12-7-15)21(27)16-3-2-8-23-14-16/h1-5,8-10,13-15H,6-7,11-12H2
InChIKeyIWKQXJYRAATEES-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.82
Rot. Bonds4

About [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95822283) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95822283
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-4-1-5-18(13-17)28-20-19(24-9-10-25-20)15-6-11-26(12-7-15)21(27)16-3-2-8-23-14-16/h1-5,8-10,13-15H,6-7,11-12H2
InChIKeyIWKQXJYRAATEES-UHFFFAOYSA-N
XLogP3.82
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110149967
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 110150700
2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823255
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95822487
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 95823494
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 129458305
[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151630
2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
CID 95823060
[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110256734

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95822283) is [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1.
What is the InChIKey of [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is IWKQXJYRAATEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-4-1-5-18(13-17)28-20-19(24-9-10-25-20)15-6-11-26(12-7-15)21(27)16-3-2-8-23-14-16/h1-5,8-10,13-15H,6-7,11-12H2.
What are the key properties of [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 378.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95822283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).